N-hydroxy-4-methoxybenzenecarboximidoyl chloride

Base Information

• Chemical Name: N-hydroxy-4-methoxybenzenecarboximidoyl chloride
• CAS No.: 38435-51-7
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 2925290090
• European Community (EC) Number: 692-241-9
• DSSTox Substance ID: DTXSID60430541
• Mol file: 38435-51-7.mol

Synonyms:N-hydroxy-4-methoxybenzenecarboximidoyl chloride;38435-51-7;N-Hydroxy-4-methoxybenzimidoyl chloride;(1Z)-N-hydroxy-4-methoxybenzenecarboximidoyl chloride;(Z)-N-hydroxy-4-methoxybenzene-1-carbonimidoyl chloride;(Z)-N-hydroxy-4-methoxybenzimidoyl chloride;SCHEMBL3551617;DTXSID60430541;RWYJLUIRTJBSDS-NTMALXAHSA-N;MFCD01924588;STK693282;AKOS005069485;AKOS025310053;11L-310S;EN300-187750;N-Hydroxy-4-methoxybenzenecarboxyimidoyl chloride;Benzenecarboximidoyl chloride, N-hydroxy-4-methoxy-;J-502656;74903-79-0

Chemical Property of N-hydroxy-4-methoxybenzenecarboximidoyl chloride

Chemical Property:

• Vapor Pressure: 0.000172mmHg at 25°C
• Melting Point: 87-89 °C
• Refractive Index: 1.534
• Boiling Point: 316.499 °C at 760 mmHg
• PKA: 10.66±0.70(Predicted)
• Flash Point: 145.213 °C
• PSA: 41.82000
• Density: 1.24 g/cm³
• LogP: 2.06980
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

N-hydroxy-4-methoxybenzenecarboximidoylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=NO)Cl
• Isomeric SMILES: COC1=CC=C(C=C1)/C(=N/O)/Cl

Technology Process of N-hydroxy-4-methoxybenzenecarboximidoyl chloride

There total 16 articles about N-hydroxy-4-methoxybenzenecarboximidoyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

p-methoxyl benzaldoxime (3717-21-3,3717-22-4,140461-28-5,140461-29-6,3235-04-9) → N-hydroxy-4-methoxy-benzenecarboximidoyl chloride (38435-51-7)

Guidance literature:

With hydrogenchloride; Oxone; silica gel; at 20 ℃; for 0.15h;

Reference yield: 75.0%

(E)-4-methoxybenzaldoxime (3717-21-3,3717-22-4,3235-04-9,140461-28-5,140461-29-6) → N-hydroxy-4-methoxy-benzenecarboximidoyl chloride (38435-51-7)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1039/d0nj03474f

Reference yield:

4-methoxy-benzaldehyde (123-11-5) → N-hydroxy-4-methoxy-benzenecarboximidoyl chloride (38435-51-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; hydroxylamine hydrochloride; chlorine; Yield given. Multistep reaction; 1.) 30 min, 2.) 0 deg C;

upstream raw materials:

(Z)-para-methoxybenzaldehyde oxime

(E)-4-methoxybenzaldoxime

(+/-)-4-(chloro-nitroso-methyl)-anisole

p-methoxyl benzaldoxime

Downstream raw materials:

3-(4-methoxy-phenyl)-isoxazole-5-carboxylic acid methyl ester

O-4-nitrobenzoyl-4-methoxybenzohydroximoyl chloride

3-anisyl-5,8-dihydronaphtho[2,3-d]-isoxazole-5,8-dione

2,5-dihydro-3'-(p-anisyl)spiroisoxazolino-[5',5]furan-2-one

Refernces

• 1、 Pan, Hongmei,Lu, Tong,Wu, Xuedan,Gu, Chengwen,Tao, Naili,Zhang, Biao,Wang, Ao,Chen, Guangmei,Zhang, Kehua,Cheng, Jie,Jin, Jie. "Design and synthesis of sinomenine isoxazole derivatives via 1,3-dipolar cycloaddition reaction". supporting information. p. 2360 - 2364. Retrieved 2019/11/11.
• 2、 Aarjane, Mohammed,Slassi, Siham,Tazi, Bouchra,Amine, Amina. "Synthesis and biological evaluation of novel isoxazole derivatives from acridone". . . Retrieved 2020/12/07.